4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine

C24H26FN5O — CID 174452652

IUPAC4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCCON1C(c2ccc(F)cc2)=C(c2ccnc(NC(C)c3ccccc3)c2)NN1C
InChIInChI=1S/C24H26FN5O/c1-4-31-30-24(19-10-12-21(25)13-11-19)23(28-29(30)3)20-14-15-26-22(16-20)27-17(2)18-8-6-5-7-9-18/h5-17,28H,4H2,1-3H3,(H,26,27)
InChIKeyJRIATKWMKXPVSJ-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.84
Rot. Bonds7

About 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine

4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine (PubChem CID 174452652) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
PubChem CID174452652
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
SMILESCCON1C(c2ccc(F)cc2)=C(c2ccnc(NC(C)c3ccccc3)c2)NN1C
InChIInChI=1S/C24H26FN5O/c1-4-31-30-24(19-10-12-21(25)13-11-19)23(28-29(30)3)20-14-15-26-22(16-20)27-17(2)18-8-6-5-7-9-18/h5-17,28H,4H2,1-3H3,(H,26,27)
InChIKeyJRIATKWMKXPVSJ-UHFFFAOYSA-N
XLogP4.84
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 154699724
4-[(E)-2-ethoxyethenyl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 68686090
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 22486134
4-[3-(4-fluorophenyl)-1-(1H-pyrazolo[4,5-b]pyridin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 70921849
4-(4-fluorophenyl)-1,2-dimethyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrazol-3-one
CID 10309728
4-[4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59988454
5-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-1-methyl-N-(1-phenylethyl)imidazol-2-amine
CID 10273648
4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;sulfane
CID 163562723
5-[3-(ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-1-methyl-N-[(1R)-1-phenylethyl]imidazol-2-amine
CID 59068570
4-(4-fluorophenyl)-1-methyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-2,2-di(piperidin-4-yl)pyrazol-2-ium-3-one
CID 23449901
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
4-[4-(4-fluorophenyl)-2-pyridin-4-yl-1,3-oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18515969

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine (CID 174452652) is 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine is CCON1C(c2ccc(F)cc2)=C(c2ccnc(NC(C)c3ccccc3)c2)NN1C.
What is the InChIKey of 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
The InChIKey is JRIATKWMKXPVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-4-31-30-24(19-10-12-21(25)13-11-19)23(28-29(30)3)20-14-15-26-22(16-20)27-17(2)18-8-6-5-7-9-18/h5-17,28H,4H2,1-3H3,(H,26,27).
What are the key properties of 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine?
4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine has a molecular weight of 419.50 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-4-(4-fluorophenyl)-2-methyl-1H-triazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 174452652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).